2-[[(4-methoxyphenyl)carbonylamino]methyl]-3-(4-methoxyphenyl)sulfonyl-2-oxidanyl-propanoic acid

Systemtic Name: 2-[[(4-methoxyphenyl)carbonylamino]methyl]-3-(4-methoxyphenyl)sulfonyl-2-oxidanyl-propanoic acid Openeye Name: 2-hydroxy-2-[[(4-methoxybenzoyl)amino]methyl]-3-(4-methoxyphenyl)sulfonyl-propanoic acid CAS Name: 2-hydroxy-2-[[[(4-methoxyphenyl)-oxomethyl]amino]methyl]-3-(4-methoxyphenyl)sulfonylpropanoic acid IUPAC Name: 2-hydroxy-2-[[(4-methoxybenzoyl)amino]methyl]-3-(4-methoxyphenyl)sulfonylpropanoic acid Traditional Name: 2-hydroxy-2-[(4-methoxyphenyl)sulfonylmethyl]-3-(p-anisoylamino)propionic acid Formula: C19H21NO8S MolecularWeight: 423.43694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC(CS(=O)(=O)C2=CC=C(C=C2)OC)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC(CS(=O)(=O)C2=CC=C(C=C2)OC)(C(=O)O)O

InChI

InChI=1S/C19H21NO8S/c1-27-14-5-3-13(4-6-14)17(21)20-11-19(24,18(22)23)12-29(25,26)16-9-7-15(28-2)8-10-16/h3-10,24H,11-12H2,1-2H3,(H,20,21)(H,22,23)